Molecule ID: mol1400
SMILES: C[n+]1cc(O)cc2ccccc21
InChI: InChI=1S/C10H9NO/c1-11-7-9(12)6-8-4-2-3-5-10(8)11/h2-7H,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.39 | Hunt | 1 » 0 |
| 5.42 | Datawarrior | 1 » 0 |
| 5.42 | AttenGpKa training set | 1 » 0 |
| 5.42 | QSARToolbox | 1 » 0 |
| 5.42 | QSARToolbox | 1 » 0 |
| 5.42 | QSARToolbox | 1 » 0 |
| 5.42 | QSARToolbox | 1 » 0 |
| 5.42 | OCHEM | 1 » 0 |